[
  {
    "molid": "mol6463",
    "smiles": "O=c1ccc([N+](=O)[O-])c[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1ccc([N+](=O)[O-])c[nH]1",
        "std_free_energy": -5.8110857009887695,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccc([N+](=O)[O-])c[n-]1",
        "std_free_energy": 0.4853259325027466,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": -3.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]